Repositories list

• molli

  Public
  Molecular Library Toolbox

  Jupyter Notebook

  •

  MIT License

  •5•56•15•0•Updated Oct 29, 2024Oct 29, 2024

• Lucid_Somnambulist

  Public
  Active learning applied to Pd-catalyzed C-N couplings.

  Python

  •

  Apache License 2.0

  •6•12•0•1•Updated Oct 25, 2024Oct 25, 2024

• molli-docs

  Public
  Documentation for molli package

  Jupyter Notebook

  •0•0•2•1•Updated Oct 23, 2024Oct 23, 2024

• molli_firstgen

  Public
  In silico library generation tool box

  Python

  •1•5•8•1•Updated Apr 2, 2024Apr 2, 2024

• BOX_VMA

  Public
  programs for BOX library construction and ligand selection

  Python

  •0•1•0•0•Updated Aug 28, 2023Aug 28, 2023

• Atropselective-Iodination

  Public
  Python

  •0•1•0•0•Updated Dec 7, 2022Dec 7, 2022

• irproc

  Public
  IR spectra batch processing and plotting

  Python

  •0•2•2•0•Updated Apr 23, 2022Apr 23, 2022